Molecular Dynamics Modeling of the Processes of Surface Metallization

In the present study molecular dynamics simulations were performed for collisions of nanoclusters with each other and with the substrate for determining the mechanism of formation of bound states depending on the cluster size and impact velocity. A highly efficient parallel code for three-dimensional molecular dynamics was developed. This code is based on a spatial domain decomposition algorithm with one-dimensional parallelization and involves an additional subdomain load balancing algorithm that can save a considerable amount of computational time.